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	hartrees
Energy at 0K	-186.693119
Energy at 298.15K
HF Energy	-186.494748
Nuclear repulsion energy	91.811334

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3260	3105	4.38	88.52	0.60	0.75
2	A'	3130	2981	14.95	95.58	0.14	0.25
3	A'	2244	2137	26.73	203.78	0.26	0.41
4	A'	1694	1613	23.08	47.36	0.17	0.30
5	A'	1520	1447	13.61	31.11	0.38	0.55
6	A'	1239	1180	8.24	4.31	0.73	0.84
7	A'	952	906	6.47	1.61	0.07	0.13
8	A'	614	585	2.31	3.26	0.25	0.41
9	A'	247	235	6.22	10.04	0.56	0.71
10	A"	1099	1046	21.90	0.55	0.75	0.86
11	A"	772	735	0.67	5.56	0.75	0.86
12	A"	353	336	7.88	0.72	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.100	-1.559
N2	-0.617	-0.493
C3	0.000	0.707
N4	0.420	1.804
H5	-0.417	-2.513
H6	1.190	-1.555

	C1	N2	C3	N4	H5	H6
C1		1.2841	2.2686	3.3784	1.0846	1.0902
N2	1.2841		1.3498	2.5207	2.0291	2.0956
C3	2.2686	1.3498		1.1746	3.2468	2.5564
N4	3.3784	2.5207	1.1746		4.3972	3.4464
H5	1.0846	2.0291	3.2468	4.3972		1.8705
H6	1.0902	2.0956	2.5564	3.4464	1.8705

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	118.903	N2	C1	H5	117.632
N2	C1	H6	123.712	N2	C3	N4	173.786
H5	C1	H6	118.656

All results from a given calculation for H₂CNCN (cyanamide, methylene)

using model chemistry: B2PLYP/6-31+G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.048
2	N	-0.245
3	C	0.367
4	N	-0.398
5	H	0.165
6	H	0.158

	x	y	z	Total
	0.607	-4.499	0.000	4.539
CHELPG
AIM
ESP

	x	y	z
x	4.155	0.413	-0.000
y	0.413	8.708	-0.001
z	-0.000	-0.001	2.943

<r²>	71.306
(<r²>)^1/2	8.444

All results from a given calculation for H2CNCN (cyanamide, methylene)

using model chemistry: B2PLYP/6-31+G**

States and conformations

All results from a given calculation for H₂CNCN (cyanamide, methylene)